Label de Chimie Théorique 2025, Nord-Ile de France

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Introduction to theoretical chemistry methods

Static Analysis of Potential Energy Surfaces

Application of Hartree-Fock theory to core-level ionization process

Introduction to classical molecular simulations #1

Introduction to classical molecular simulations #2

Electronic Structure and Spectroscopies: methods, problems and some solutions

Basis in Density Functional Theory

[MME] Topological graphs in MD simulations and LLM machine learning for vibrational spectroscopies.
CANCELED [SEDQA] Théorie Valence Bond pour la structure électronique et la réactivité

Chimie Théorique et Centres de Calcul

[SEDQA] Excited-state dynamics
[MME] Molecular dynamics with advanced force fields

[MME] Modeling photoactive systems with TDDFT
[SEDQA] Topology : recovering classical concepts from quantum chemistry

Modeling periodic systems at atomic scale with quantum chemical methods

[MME] Modeling redox potentials of cations in proteins
[SEDQA] Unimolecular Reactivity: Kinetics and dynamics

[MME] Multi-scale methods for molecular simulations of cellular environments
CANCELED [SEDQA]TD-DFT in action

[MME] Modeling interface reactivity
[SEDQA] Relativistic effects in quantum chemistry

[MME] Hybrid QM/QM’ or QM/MM methodologies
[SEDQA] Quantum dynamic with Multiconfigurational Time-Dependent Hartree (MCTDH) Method
[SEDQA] Quantum dynamic with Multiconfigurational Time-Dependent Hartree (MCTDH) Method